9ZXM

DDB1 delta with compound 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 21 21 21
Unit cell lengths	67.755, 115.924, 120.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.110 - 2.195
Rwork	0.191
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.575
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.110	2.220
High resolution limit [Å]	2.195	2.200
Rmerge	0.178	0.791
Rmeas	0.192	0.859
Rpim	0.070	0.331
Number of reflections	48885	1306
<I/σ(I)>	8.05	1.56
Completeness [%]	99.2	95.28
Redundancy	7.4	6.6
CC(1/2)	0.993	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium acetate, 0.1M Bis Tris pH 5.5-6.5, and 25% PEG 3350